N-butan-2-yl-4-ethyliminopent-2-en-2-amine

C11H22N2 — CID 150474256

IUPACN-butan-2-yl-4-ethyliminopent-2-en-2-amine
SMILESCC/N=C(\C)C=C(C)NC(C)CC
InChIInChI=1S/C11H22N2/c1-6-9(3)13-11(5)8-10(4)12-7-2/h8-9,13H,6-7H2,1-5H3/b11-8?,12-10+
InChIKeyZBEZMEVLYGKVSV-HYGUTGTHSA-N
MW182.31 g/mol
LogP2.76
Rot. Bonds5

About N-butan-2-yl-4-ethyliminopent-2-en-2-amine

N-butan-2-yl-4-ethyliminopent-2-en-2-amine (PubChem CID 150474256) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-butan-2-yl-4-ethyliminopent-2-en-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-ethyliminopent-2-en-2-amine
PubChem CID150474256
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-butan-2-yl-4-ethyliminopent-2-en-2-amine
SMILESCC/N=C(\C)C=C(C)NC(C)CC
InChIInChI=1S/C11H22N2/c1-6-9(3)13-11(5)8-10(4)12-7-2/h8-9,13H,6-7H2,1-5H3/b11-8?,12-10+
InChIKeyZBEZMEVLYGKVSV-HYGUTGTHSA-N
XLogP2.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-ethyliminopent-2-en-2-amine?
The IUPAC name of N-butan-2-yl-4-ethyliminopent-2-en-2-amine (CID 150474256) is N-butan-2-yl-4-ethyliminopent-2-en-2-amine.
What is the SMILES notation for N-butan-2-yl-4-ethyliminopent-2-en-2-amine?
The canonical SMILES for N-butan-2-yl-4-ethyliminopent-2-en-2-amine is CC/N=C(\C)C=C(C)NC(C)CC.
What is the InChIKey of N-butan-2-yl-4-ethyliminopent-2-en-2-amine?
The InChIKey is ZBEZMEVLYGKVSV-HYGUTGTHSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-9(3)13-11(5)8-10(4)12-7-2/h8-9,13H,6-7H2,1-5H3/b11-8?,12-10+.
What are the key properties of N-butan-2-yl-4-ethyliminopent-2-en-2-amine?
N-butan-2-yl-4-ethyliminopent-2-en-2-amine has a molecular weight of 182.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-ethyliminopent-2-en-2-amine is sourced from PubChem (CID 150474256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).